Get optimized quotes instantly for 35M+ unique compounds. Create a free account and start optimizing your compound procurement. Learn more »
MCULE-4651516113
Compound
Show structure
In order to add this molecule to a collection you have to create an account.
Sign up for free
- InChIKey:
- SMILES:
- InChI:
- Formula:
| Amount | Price
 Optimized compound price excluding delivery costs. Please note that automatic quote generation will optimize the total price based on your preferences.
|
Guaranteed purity (%) | Delivery time
Estimated door-to-door delivery time for EU and US customers. It will be refined and optimized during quote generation after the shipping country is specified.
|
|
|---|---|---|---|---|
| 1 mg | 7 USD | N/A | 14 working days | Get Quote |
| 5 mg | 13 USD | 98 | 16 working days | Get Quote |
| 10 mg | 18 USD | 98 | 16 working days | Get Quote |
New customers are eligible for a 10% discount if indicated at the time of ordering.
- 1-Click Docking Predict the binding orientation and affinity of the ligand to a target.
- Toxicity checker Searching for substructures commonly found in toxic and promiscuous ligands.
- Property calculator Create a physicochemical property profile for the compound in a second.
- Similarity search Find analogs by similarity search.
- Substructure search Find analogs by substructure search.
| Name | File |
|---|---|
| SDF | MCULE-4651516113.sdf |
| SMILES | MCULE-4651516113.smiles |
| Standard InChI | MCULE-4651516113.inchi |
| InChIKey | MCULE-4651516113.txt |
| mcule product ID | Supplier | Catalog | Guaranteed purity (%) | Product matching | Availability |
|---|---|---|---|---|---|
| P-867634307 | A2B Chem | Predominantly Building Block in stock | 98 | As is | in stock |
| P-875798931 | AA Blocks | AA Blocks | N/A | As is | in stock |
| P-869289946 | AK Scientific | Building Blocks | 95 | As is | in stock |
| P-606846756 | AmBeed | In stock | N/A | As is | in stock |
| P-596967150 | Angene | Building Blocks in stock | 98 | As is | 2.795 g |
| P-872726134 | Apexbio Technology | Bioactive Compound Library | 98 | As is | in stock |
| P-864176677 | AstaTech | In Stock BBs | 98 | As is | in stock |
| P-860055933 | AvaChem Scientific | All products | 98 | As is | by synthesis |
| P-584627917 | BLD pharm | In-stock building blocks | 98 | As is | 2.795 g |
| P-6047222 | ChemBridge | EXPRESS-Pick Collection | 90 | As is | 5 mg |
| P-851310219 | Chemshuttle | On request catalog | 95 | As is | by synthesis |
| P-580451970 | CliniSciences S.A.S | All products | 99 | As is | in stock |
| P-868627564 | Combi-Blocks | Building Block in stock | 98 | As is | in stock |
| P-608495284 | DC Chemicals Limited | Stock Products | 95 | As is | in stock |
| P-862145404 | FluoroChem | General BB | N/A | As is | in stock |
| P-870660733 | Glentham Life Sciences | Compounds typically in stock | N/A | As is | in stock |
| P-502840146 | Innovapharm | Screening Compounds | 90 | As is | in stock |
| P-596562044 | Key Organics | Building Blocks | 97 | As is | 50 mg |
| P-14188610 | Life Chemicals | Screening Compounds | 90 | As is | 70 mg |
| P-854715408 | MedChemExpress | Screening compounds In stock | 95 | As is | in stock |
| P-474021795 | MedKoo | In stock compounds | 95 | As is | in stock |
| P-619672865 | Molnova | Stock | 98 | As is | in stock |
| P-26546737 | Otava | In-House Stock Library | 90 | As is | 100 mg |
| P-617403306 | Selleckchem | Product Catalog | N/A | As is | in stock |
| P-888656672 | TargetMol | Screening Compounds | 95 | As is | by synthesis |
| P-594274095 | TargetMol | Screening Compounds - stock amount | 95 | As is | in stock |
| P-873231588 | TimTec | Building Block Collection | 90 | As is | in stock |
| P-611427331 | Toronto Research | In stock | 90 | As is | in stock |
| P-615417681 | eNovation Chemicals LLC | Building Blocks in stock | 98 | As is | in stock |
| Property | Value |
|---|---|
| Components | 1 |
| Mass | 244.270 |
| logP | 2.7575 |
| H-bond acceptors | 6 |
| H-bond donors | 0 |
| Rotatable bonds | 3 |
| PSA | 91.58 |
| RO5 violations | 0 |
| RO3 violations | 2 |
| Refractivity | 61.027 |
| Atoms | 28 |
| Rings | 1 |
| Heavy atoms | 16 |
| Hydrogen atoms | 12 |
| Heteroatoms | 7 |
| N/O atoms | 6 |
| Inorganic atoms | 0 |
| Halogen atoms | 0 |
| Chiral centers | 0 |
| R/S chiral centers | 0 |
| Unknown chiral centers | 0 |
| Undefined chiral centers | 0 |
| Stereo double bonds | 0 |
| Cis/trans stereo double bonds | 0 |
| Unknown stereo double bonds | 0 |
| Undefined stereo double bonds | 0 |
